[4-(2-azanyl-5-phenyl-pyrimidin-4-yl)-1H-pyrrol-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone

Systemtic Name: [4-(2-azanyl-5-phenyl-pyrimidin-4-yl)-1H-pyrrol-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone Openeye Name: [4-(2-amino-5-phenyl-pyrimidin-4-yl)-1H-pyrrol-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone CAS Name: [4-(2-amino-5-phenyl-4-pyrimidinyl)-1H-pyrrol-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone IUPAC Name: [4-(2-amino-5-phenylpyrimidin-4-yl)-1H-pyrrol-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone Traditional Name: [4-(2-amino-5-phenyl-pyrimidin-4-yl)-1H-pyrrol-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone Formula: C21H24N6O MolecularWeight: 376.45486

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C(=O)C2=CC(=CN2)C3=NC(=NC=C3C4=CC=CC=C4)N

Isomeric SMILES

CN1CCCN(CC1)C(=O)C2=CC(=CN2)C3=NC(=NC=C3C4=CC=CC=C4)N

InChI

InChI=1S/C21H24N6O/c1-26-8-5-9-27(11-10-26)20(28)18-12-16(13-23-18)19-17(14-24-21(22)25-19)15-6-3-2-4-7-15/h2-4,6-7,12-14,23H,5,8-11H2,1H3,(H2,22,24,25)