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

Systemtic Name: 1-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-(4-ethylphenyl)-1-(3-methylbutyl)thiourea Openeye Name: 1-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-3-(4-ethylphenyl)-1-isopentyl-thiourea CAS Name: 1-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-3-(4-ethylphenyl)-1-(3-methylbutyl)thiourea IUPAC Name: 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(4-ethylphenyl)-1-(3-methylbutyl)thiourea Traditional Name: 1-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-3-(4-ethylphenyl)-1-isoamyl-thiourea Formula: C22H33N5O2S MolecularWeight: 431.59472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=S)NC2=CC=C(C=C2)CC)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=S)NC2=CC=C(C=C2)CC)N

InChI

InChI=1S/C22H33N5O2S/c1-5-7-13-27-19(23)18(20(28)25-21(27)29)26(14-12-15(3)4)22(30)24-17-10-8-16(6-2)9-11-17/h8-11,15H,5-7,12-14,23H2,1-4H3,(H,24,30)(H,25,28,29)