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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N5O2S/c1-4-7-13-25(21(29)23-16-11-9-15(6-3)10-12-16)17-18(22)26(14-8-5-2)20(28)24-19(17)27/h9-12H,4-8,13-14,22H2,1-3H3,(H,23,29)(H,24,27,28)