2-azanyl-9-[2-(3,4-dimethoxyphenyl)ethyl]-7-prop-2-enyl-3H-purine-6,8-dione

Systemtic Name: 2-azanyl-9-[2-(3,4-dimethoxyphenyl)ethyl]-7-prop-2-enyl-3H-purine-6,8-dione Openeye Name: 7-allyl-2-amino-9-[2-(3,4-dimethoxyphenyl)ethyl]-3H-purine-6,8-dione CAS Name: 2-amino-9-[2-(3,4-dimethoxyphenyl)ethyl]-7-prop-2-enyl-3H-purine-6,8-dione IUPAC Name: 2-amino-9-[2-(3,4-dimethoxyphenyl)ethyl]-7-prop-2-enyl-3H-purine-6,8-dione Traditional Name: 7-allyl-2-amino-9-homoveratryl-3H-purine-6,8-quinone Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O4/c1-4-8-22-14-15(20-17(19)21-16(14)24)23(18(22)25)9-7-11-5-6-12(26-2)13(10-11)27-3/h4-6,10H,1,7-9H2,2-3H3,(H3,19,20,21,24)