[1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 2-[(phenylmethyl)amino]-1,3-thiazole-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 2-[(phenylmethyl)amino]-1,3-thiazole-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 2-(benzylamino)thiazole-4-carboxylate CAS Name: 2-[(phenylmethyl)amino]-4-thiazolecarboxylic acid [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 2-(benzylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(benzylamino)thiazole-4-carboxylic acid [2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C19H17N7O3S MolecularWeight: 423.44838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)C3=CSC(=N3)NCC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)C3=CSC(=N3)NCC4=CC=CC=C4

InChI

InChI=1S/C19H17N7O3S/c1-11(17(27)26-16-14-15(22-9-21-14)23-10-24-16)29-18(28)13-8-30-19(25-13)20-7-12-5-3-2-4-6-12/h2-6,8-11H,7H2,1H3,(H,20,25)(H2,21,22,23,24,26,27)