[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]azanium

Systemtic Name: [(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]azanium Openeye Name: [(5S)-2-(3-pyridyl)-5,6,7,8-tetrahydroquinazolin-5-yl]-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]ammonium CAS Name: [(5S)-2-(3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-5-yl]-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: [(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]azanium Traditional Name: [(5S)-2-(3-pyridyl)-5,6,7,8-tetrahydroquinazolin-5-yl]-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]ammonium Formula: C22H22N7+ MolecularWeight: 384.45698

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=CN=C(N=C2C1)C3=CN=CC=C3)[NH2+]CC4=CC=CN4C5=NC=CC=N5

Isomeric SMILES

C1C[C@@H](C2=CN=C(N=C2C1)C3=CN=CC=C3)[NH2+]CC4=CC=CN4C5=NC=CC=N5

InChI

InChI=1S/C22H21N7/c1-7-19(26-14-17-6-3-12-29(17)22-24-10-4-11-25-22)18-15-27-21(28-20(18)8-1)16-5-2-9-23-13-16/h2-6,9-13,15,19,26H,1,7-8,14H2/p+1/t19-/m0/s1