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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=S)NCCC2=CC=CC=C2

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=S)NCCC2=CC=CC=C2

InChI

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