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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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