1,3-bis[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]methyl]thiourea

Systemtic Name: 1,3-bis[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]methyl]thiourea Openeye Name: 1,3-bis[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]thiourea CAS Name: 1,3-bis[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]thiourea IUPAC Name: 1,3-bis[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]thiourea Traditional Name: 1,3-bis[(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)methyl]thiourea Formula: C17H20N10O4S MolecularWeight: 460.4703

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CNC(=S)NCC3=NC4=C(N3)C(=O)N(C(=O)N4C)C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CNC(=S)NCC3=NC4=C(N3)C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C17H20N10O4S/c1-24-11-9(13(28)26(3)16(24)30)20-7(22-11)5-18-15(32)19-6-8-21-10-12(23-8)25(2)17(31)27(4)14(10)29/h5-6H2,1-4H3,(H,20,22)(H,21,23)(H2,18,19,32)