1-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-1-butyl-3-(3,4-dimethylphenyl)thiourea

Systemtic Name: 1-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-1-butyl-3-(3,4-dimethylphenyl)thiourea Openeye Name: 1-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-1-butyl-3-(3,4-dimethylphenyl)thiourea CAS Name: 1-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-1-butyl-3-(3,4-dimethylphenyl)thiourea IUPAC Name: 1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-butyl-3-(3,4-dimethylphenyl)thiourea Traditional Name: 1-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-1-butyl-3-(3,4-dimethylphenyl)thiourea Formula: C20H29N5O2S MolecularWeight: 403.54156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=S)NC2=CC(=C(C=C2)C)C

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=S)NC2=CC(=C(C=C2)C)C

InChI

InChI=1S/C20H29N5O2S/c1-5-7-11-24(20(28)22-15-9-8-13(3)14(4)12-15)16-17(21)25(10-6-2)19(27)23-18(16)26/h8-9,12H,5-7,10-11,21H2,1-4H3,(H,22,28)(H,23,26,27)