2-azanyl-6-chloranyl-9-[2-(3,4-dimethoxyphenyl)ethyl]-7-prop-2-enyl-purin-8-one

Systemtic Name: 2-azanyl-6-chloranyl-9-[2-(3,4-dimethoxyphenyl)ethyl]-7-prop-2-enyl-purin-8-one Openeye Name: 7-allyl-2-amino-6-chloro-9-[2-(3,4-dimethoxyphenyl)ethyl]purin-8-one CAS Name: 2-amino-6-chloro-9-[2-(3,4-dimethoxyphenyl)ethyl]-7-prop-2-enyl-8-purinone IUPAC Name: 2-amino-6-chloro-9-[2-(3,4-dimethoxyphenyl)ethyl]-7-prop-2-enylpurin-8-one Traditional Name: 7-allyl-2-amino-6-chloro-9-homoveratryl-purin-8-one Formula: C18H20ClN5O3 MolecularWeight: 389.8361

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C3=C(C(=NC(=N3)N)Cl)N(C2=O)CC=C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C3=C(C(=NC(=N3)N)Cl)N(C2=O)CC=C)OC

InChI

InChI=1S/C18H20ClN5O3/c1-4-8-23-14-15(19)21-17(20)22-16(14)24(18(23)25)9-7-11-5-6-12(26-2)13(10-11)27-3/h4-6,10H,1,7-9H2,2-3H3,(H2,20,21,22)