N-[2,6-bis[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-4-(phenylcarbamoylamino)benzamide

Systemtic Name: N-[2,6-bis[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-4-(phenylcarbamoylamino)benzamide Openeye Name: N-[2,6-bis[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-4-(phenylcarbamoylamino)benzamide CAS Name: 4-[[anilino(oxo)methyl]amino]-N-[2,6-bis[(3S)-3-methyl-4-morpholinyl]-4-pyrimidinyl]benzamide IUPAC Name: N-[2,6-bis[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-4-(phenylcarbamoylamino)benzamide Traditional Name: N-[2,6-bis[(3S)-3-methylmorpholino]pyrimidin-4-yl]-4-(phenylcarbamoylamino)benzamide Formula: C28H33N7O4 MolecularWeight: 531.60612

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Descriptors Computed from Structure

Canonical SMILES:

CC1COCCN1C2=CC(=NC(=N2)N3CCOCC3C)NC(=O)C4=CC=C(C=C4)NC(=O)NC5=CC=CC=C5

Isomeric SMILES

C[C@H]1COCCN1C2=CC(=NC(=N2)N3CCOC[C@@H]3C)NC(=O)C4=CC=C(C=C4)NC(=O)NC5=CC=CC=C5

InChI

InChI=1S/C28H33N7O4/c1-19-17-38-14-12-34(19)25-16-24(32-27(33-25)35-13-15-39-18-20(35)2)31-26(36)21-8-10-23(11-9-21)30-28(37)29-22-6-4-3-5-7-22/h3-11,16,19-20H,12-15,17-18H2,1-2H3,(H2,29,30,37)(H,31,32,33,36)/t19-,20-/m0/s1