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

Systemtic Name: methyl 4-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethylamino]-3-methyl-benzoate Openeye Name: methyl 4-[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethylamino]-3-methyl-benzoate CAS Name: 4-[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethylamino]-3-methylbenzoic acid methyl ester IUPAC Name: methyl 4-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethylamino]-3-methylbenzoate Traditional Name: 4-[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethylamino]-3-methyl-benzoic acid methyl ester Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C18H21N5O4/c1-11-9-12(17(25)27-4)5-6-13(11)19-7-8-23-10-20-15-14(23)16(24)22(3)18(26)21(15)2/h5-6,9-10,19H,7-8H2,1-4H3