1-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-1-cyclopentyl-3-[(1S,2S)-2-methylcyclohexyl]thiourea

Systemtic Name: 1-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-1-cyclopentyl-3-[(1S,2S)-2-methylcyclohexyl]thiourea Openeye Name: 1-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-1-cyclopentyl-3-[(1S,2S)-2-methylcyclohexyl]thiourea CAS Name: 1-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-1-cyclopentyl-3-[(1S,2S)-2-methylcyclohexyl]thiourea IUPAC Name: 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-cyclopentyl-3-[(1S,2S)-2-methylcyclohexyl]thiourea Traditional Name: 1-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-1-cyclopentyl-3-[(1S,2S)-2-methylcyclohexyl]thiourea Formula: C21H35N5O2S MolecularWeight: 421.5999

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(C2CCCC2)C(=S)NC3CCCCC3C)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C2CCCC2)C(=S)N[C@H]3CCCC[C@@H]3C)N

InChI

InChI=1S/C21H35N5O2S/c1-3-4-13-25-18(22)17(19(27)24-20(25)28)26(15-10-6-7-11-15)21(29)23-16-12-8-5-9-14(16)2/h14-16H,3-13,22H2,1-2H3,(H,23,29)(H,24,27,28)/t14-,16-/m0/s1