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

Systemtic Name: 1-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-1-cyclopentyl-3-(3-ethylphenyl)thiourea Openeye Name: 1-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-1-cyclopentyl-3-(3-ethylphenyl)thiourea CAS Name: 1-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-1-cyclopentyl-3-(3-ethylphenyl)thiourea IUPAC Name: 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-cyclopentyl-3-(3-ethylphenyl)thiourea Traditional Name: 1-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-1-cyclopentyl-3-(3-ethylphenyl)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)NC3=CC=CC(=C3)CC)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C2CCCC2)C(=S)NC3=CC=CC(=C3)CC)N

InChI

InChI=1S/C22H31N5O2S/c1-3-5-13-26-19(23)18(20(28)25-21(26)29)27(17-11-6-7-12-17)22(30)24-16-10-8-9-15(4-2)14-16/h8-10,14,17H,3-7,11-13,23H2,1-2H3,(H,24,30)(H,25,28,29)