[1-[[1-methyl-6-oxidanylidene-5-[(phenylmethyl)amino]-4-pyridin-4-yl-pyrimidin-2-yl]amino]-3-phenyl-propan-2-yl]carbamic acid

Systemtic Name: [1-[[1-methyl-6-oxidanylidene-5-[(phenylmethyl)amino]-4-pyridin-4-yl-pyrimidin-2-yl]amino]-3-phenyl-propan-2-yl]carbamic acid Openeye Name: [1-benzyl-2-[[5-(benzylamino)-1-methyl-6-oxo-4-(4-pyridyl)pyrimidin-2-yl]amino]ethyl]carbamic acid CAS Name: [1-[[1-methyl-6-oxo-5-[(phenylmethyl)amino]-4-pyridin-4-yl-2-pyrimidinyl]amino]-3-phenylpropan-2-yl]carbamic acid IUPAC Name: [1-[[5-(benzylamino)-1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl]amino]-3-phenylpropan-2-yl]carbamic acid Traditional Name: [1-benzyl-2-[[5-(benzylamino)-6-keto-1-methyl-4-(4-pyridyl)pyrimidin-2-yl]amino]ethyl]carbamic acid Formula: C27H28N6O3 MolecularWeight: 484.54962

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N=C1NCC(CC2=CC=CC=C2)NC(=O)O)C3=CC=NC=C3)NCC4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C(=C(N=C1NCC(CC2=CC=CC=C2)NC(=O)O)C3=CC=NC=C3)NCC4=CC=CC=C4

InChI

InChI=1S/C27H28N6O3/c1-33-25(34)24(29-17-20-10-6-3-7-11-20)23(21-12-14-28-15-13-21)32-26(33)30-18-22(31-27(35)36)16-19-8-4-2-5-9-19/h2-15,22,29,31H,16-18H2,1H3,(H,30,32)(H,35,36)