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

Systemtic Name: 1-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-1-cyclopentyl-3-(phenylmethyl)thiourea Openeye Name: 1-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-3-benzyl-1-cyclopentyl-thiourea CAS Name: 1-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-1-cyclopentyl-3-(phenylmethyl)thiourea IUPAC Name: 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-benzyl-1-cyclopentylthiourea Traditional Name: 1-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-3-benzyl-1-cyclopentyl-thiourea Formula: C21H29N5O2S MolecularWeight: 415.55226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(C2CCCC2)C(=S)NCC3=CC=CC=C3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C2CCCC2)C(=S)NCC3=CC=CC=C3)N

InChI

InChI=1S/C21H29N5O2S/c1-2-3-13-25-18(22)17(19(27)24-20(25)28)26(16-11-7-8-12-16)21(29)23-14-15-9-5-4-6-10-15/h4-6,9-10,16H,2-3,7-8,11-14,22H2,1H3,(H,23,29)(H,24,27,28)