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

Systemtic Name: 1-butyl-3-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylamino]thiourea Openeye Name: 1-butyl-3-[[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetyl]amino]thiourea CAS Name: 1-butyl-3-[[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxoethyl]amino]thiourea IUPAC Name: 1-butyl-3-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]thiourea Traditional Name: 1-butyl-3-[[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetyl]amino]thiourea Formula: C14H21N7O3S MolecularWeight: 367.42664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NNC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCNC(=S)NNC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C14H21N7O3S/c1-4-5-6-15-13(25)18-17-9(22)7-21-8-16-11-10(21)12(23)20(3)14(24)19(11)2/h8H,4-7H2,1-3H3,(H,17,22)(H2,15,18,25)