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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=S)NC2=CC=CC=C2C

Isomeric SMILES

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=S)NC2=CC=CC=C2C

InChI

InChI=1S/C21H31N5O2S/c1-4-6-10-14-25(21(29)23-16-12-9-8-11-15(16)3)17-18(22)26(13-7-5-2)20(28)24-19(17)27/h8-9,11-12H,4-7,10,13-14,22H2,1-3H3,(H,23,29)(H,24,27,28)