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

Systemtic Name: 1-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-1-methyl-3-(3-methylphenyl)thiourea Openeye Name: 1-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-1-methyl-3-(m-tolyl)thiourea CAS Name: 1-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-1-methyl-3-(3-methylphenyl)thiourea IUPAC Name: 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-methyl-3-(3-methylphenyl)thiourea Traditional Name: 1-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-1-methyl-3-(m-tolyl)thiourea Formula: C17H23N5O2S MolecularWeight: 361.46182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O2S/c1-4-5-9-22-14(18)13(15(23)20-16(22)24)21(3)17(25)19-12-8-6-7-11(2)10-12/h6-8,10H,4-5,9,18H2,1-3H3,(H,19,25)(H,20,23,24)