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

Systemtic Name: 1-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-cyclohexyl-1-(phenylmethyl)thiourea Openeye Name: 1-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-1-benzyl-3-cyclohexyl-thiourea CAS Name: 1-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-3-cyclohexyl-1-(phenylmethyl)thiourea IUPAC Name: 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-benzyl-3-cyclohexylthiourea Traditional Name: 1-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-1-benzyl-3-cyclohexyl-thiourea Formula: C22H31N5O2S MolecularWeight: 429.57884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=S)NC3CCCCC3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=S)NC3CCCCC3)N

InChI

InChI=1S/C22H31N5O2S/c1-2-3-14-26-19(23)18(20(28)25-21(26)29)27(15-16-10-6-4-7-11-16)22(30)24-17-12-8-5-9-13-17/h4,6-7,10-11,17H,2-3,5,8-9,12-15,23H2,1H3,(H,24,30)(H,25,28,29)