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

Systemtic Name: 1-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-1-(2-methylpropyl)-3-phenethyl-thiourea Openeye Name: 1-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-1-isobutyl-3-phenethyl-thiourea CAS Name: 1-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-1-(2-methylpropyl)-3-phenethylthiourea IUPAC Name: 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(2-methylpropyl)-3-phenethylthiourea Traditional Name: 1-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-1-isobutyl-3-phenethyl-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)NCCC2=CC=CC=C2)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=S)NCCC2=CC=CC=C2)N

InChI

InChI=1S/C21H31N5O2S/c1-4-5-13-25-18(22)17(19(27)24-20(25)28)26(14-15(2)3)21(29)23-12-11-16-9-7-6-8-10-16/h6-10,15H,4-5,11-14,22H2,1-3H3,(H,23,29)(H,24,27,28)