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

Systemtic Name: 1-[6-azanyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-1-butyl-3-(furan-2-ylmethyl)thiourea Openeye Name: 1-(6-amino-1-isobutyl-2,4-dioxo-pyrimidin-5-yl)-1-butyl-3-(2-furylmethyl)thiourea CAS Name: 1-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-1-butyl-3-(2-furanylmethyl)thiourea IUPAC Name: 1-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-butyl-3-(furan-2-ylmethyl)thiourea Traditional Name: 1-(6-amino-1-isobutyl-2,4-diketo-pyrimidin-5-yl)-1-butyl-3-(2-furfuryl)thiourea Formula: C18H27N5O3S MolecularWeight: 393.50368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=S)NCC2=CC=CO2

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=S)NCC2=CC=CO2

InChI

InChI=1S/C18H27N5O3S/c1-4-5-8-22(18(27)20-10-13-7-6-9-26-13)14-15(19)23(11-12(2)3)17(25)21-16(14)24/h6-7,9,12H,4-5,8,10-11,19H2,1-3H3,(H,20,27)(H,21,24,25)