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

Systemtic Name: 1-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-1-cyclopentyl-3-(2,3-dimethylphenyl)thiourea Openeye Name: 1-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-1-cyclopentyl-3-(2,3-dimethylphenyl)thiourea CAS Name: 1-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-1-cyclopentyl-3-(2,3-dimethylphenyl)thiourea IUPAC Name: 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-cyclopentyl-3-(2,3-dimethylphenyl)thiourea Traditional Name: 1-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-1-cyclopentyl-3-(2,3-dimethylphenyl)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(=C3C)C)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C2CCCC2)C(=S)NC3=CC=CC(=C3C)C)N

InChI

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