propyl 4-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethylamino]benzoate

Systemtic Name: propyl 4-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethylamino]benzoate Openeye Name: propyl 4-[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethylamino]benzoate CAS Name: 4-[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethylamino]benzoic acid propyl ester IUPAC Name: propyl 4-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethylamino]benzoate Traditional Name: 4-[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethylamino]benzoic acid propyl ester Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C19H23N5O4/c1-4-11-28-18(26)13-5-7-14(8-6-13)20-9-10-24-12-21-16-15(24)17(25)23(3)19(27)22(16)2/h5-8,12,20H,4,9-11H2,1-3H3