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

Systemtic Name: 1-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-1-(3-methylbutyl)-3-(2-methylphenyl)thiourea Openeye Name: 1-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-1-isopentyl-3-(o-tolyl)thiourea CAS Name: 1-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-1-(3-methylbutyl)-3-(2-methylphenyl)thiourea IUPAC Name: 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(3-methylbutyl)-3-(2-methylphenyl)thiourea Traditional Name: 1-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-1-isoamyl-3-(o-tolyl)thiourea Formula: C21H31N5O2S MolecularWeight: 417.56814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=S)NC2=CC=CC=C2C)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=S)NC2=CC=CC=C2C)N

InChI

InChI=1S/C21H31N5O2S/c1-5-6-12-26-18(22)17(19(27)24-20(26)28)25(13-11-14(2)3)21(29)23-16-10-8-7-9-15(16)4/h7-10,14H,5-6,11-13,22H2,1-4H3,(H,23,29)(H,24,27,28)