1-[[3-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]oxyphenyl]methylideneamino]thiourea

Systemtic Name: 1-[[3-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]oxyphenyl]methylideneamino]thiourea Openeye Name: [[3-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)oxyphenyl]methyleneamino]thiourea CAS Name: [[3-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)oxy]phenyl]methylideneamino]thiourea IUPAC Name: [[3-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)oxyphenyl]methylideneamino]thiourea Traditional Name: [[3-(2,6-diketo-1,3,7-trimethyl-purin-8-yl)oxybenzylidene]amino]thiourea Formula: C16H17N7O3S MolecularWeight: 387.41628

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OC3=CC=CC(=C3)C=NNC(=S)N)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1OC3=CC=CC(=C3)C=NNC(=S)N)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H17N7O3S/c1-21-11-12(22(2)16(25)23(3)13(11)24)19-15(21)26-10-6-4-5-9(7-10)8-18-20-14(17)27/h4-8H,1-3H3,(H3,17,20,27)