1-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylamino]-3-phenyl-thiourea

Systemtic Name: 1-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylamino]-3-phenyl-thiourea Openeye Name: 1-[[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetyl]amino]-3-phenyl-thiourea CAS Name: 1-[[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxoethyl]amino]-3-phenylthiourea IUPAC Name: 1-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-phenylthiourea Traditional Name: 1-[[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetyl]amino]-3-phenyl-thiourea Formula: C16H17N7O3S MolecularWeight: 387.41628

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NNC(=S)NC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NNC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C16H17N7O3S/c1-21-13-12(14(25)22(2)16(21)26)23(9-17-13)8-11(24)19-20-15(27)18-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,19,24)(H2,18,20,27)