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

Systemtic Name: 1-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-(4-methylphenyl)-1-(2-methylpropyl)thiourea Openeye Name: 1-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-1-isobutyl-3-(p-tolyl)thiourea CAS Name: 1-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-3-(4-methylphenyl)-1-(2-methylpropyl)thiourea IUPAC Name: 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(4-methylphenyl)-1-(2-methylpropyl)thiourea Traditional Name: 1-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-1-isobutyl-3-(p-tolyl)thiourea Formula: C20H29N5O2S MolecularWeight: 403.54156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=S)NC2=CC=C(C=C2)C)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=S)NC2=CC=C(C=C2)C)N

InChI

InChI=1S/C20H29N5O2S/c1-5-6-11-24-17(21)16(18(26)23-19(24)27)25(12-13(2)3)20(28)22-15-9-7-14(4)8-10-15/h7-10,13H,5-6,11-12,21H2,1-4H3,(H,22,28)(H,23,26,27)