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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(C2CCCC2)C(=S)NCCC3=CC=CC=C3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C2CCCC2)C(=S)NCCC3=CC=CC=C3)N

InChI

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