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

Systemtic Name: propan-2-yl 4-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethylamino]benzoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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