HPT 909-8-chlortheophyllinat [German]

8-chloro-1,3-dimethyl-7H-purine-2,6-dione;1-[2-(dimethylamino)ethyl]-2-pyridin-2-yl-2,3-dihydroquinazolin-4-one

CAS: 73987-30-1

Molecular Formula	`C24H27ClN8O3`
Molecular Weight	511.0 g/mol
Topological Polar Surface Area	118.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	4
Exact Mass	510.18945
Heavy Atoms	36
Complexity	684.0

Chemical Identifiers

CAS Number	73987-30-1
SMILES	`CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl.CN(C)CCN1C(NC(=O)C2=CC=CC=C21)C3=CC=CC=N3`
InChIKey	`JUCWBRSNGVEQRG-UHFFFAOYSA-N`

📖 Product Overview

HPT 909-8-chlortheophyllinat [German] (CAS: 73987-30-1) is a chemical compound with molecular formula C24H27ClN8O3 and molecular weight 511.0 g/mol. Its IUPAC systematic name is 8-chloro-1,3-dimethyl-7H-purine-2,6-dione;1-[2-(dimethylamino)ethyl]-2-pyridin-2-yl-2,3-dihydroquinazolin-4-one. Topological Polar Surface Area 118.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 7 Rotatable Bonds 4 Exact Mass 510.18945 Heavy Atoms 36 Complexity 684.0 InChI Key: JUCWBRSNGVEQRG-UHFFFAOYSA-N. SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl.CN(C)CCN1C(NC(=O)C2=CC=CC=C21)C3=CC=CC=N3.

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