1-butyl-3-[(2R)-6-methylheptan-2-yl]-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]urea

Systemtic Name: 1-butyl-3-[(2R)-6-methylheptan-2-yl]-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]urea Openeye Name: 1-butyl-3-[(1R)-1,5-dimethylhexyl]-1-[(4-oxo-1H-quinazolin-2-yl)methyl]urea CAS Name: 1-butyl-3-[(2R)-6-methylheptan-2-yl]-1-[(4-oxo-1H-quinazolin-2-yl)methyl]urea IUPAC Name: 1-butyl-3-[(2R)-6-methylheptan-2-yl]-1-[(4-oxo-1H-quinazolin-2-yl)methyl]urea Traditional Name: 1-butyl-3-[(1R)-1,5-dimethylhexyl]-1-[(4-keto-1H-quinazolin-2-yl)methyl]urea Formula: C22H34N4O2 MolecularWeight: 386.53096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)NC(C)CCCC(C)C

Isomeric SMILES

CCCCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)N[C@H](C)CCCC(C)C

InChI

InChI=1S/C22H34N4O2/c1-5-6-14-26(22(28)23-17(4)11-9-10-16(2)3)15-20-24-19-13-8-7-12-18(19)21(27)25-20/h7-8,12-13,16-17H,5-6,9-11,14-15H2,1-4H3,(H,23,28)(H,24,25,27)/t17-/m1/s1