4-azanyl-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-(4-benzyl-1,4-diazepan-1-yl)pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-(4-benzyl-1,4-diazepan-1-yl)pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-(4-benzyl-1,4-diazepan-1-yl)pyrimidine-5-carbonitrile Formula: C17H20N6 MolecularWeight: 308.3809

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC=C(C(=N2)N)C#N)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C2=NC=C(C(=N2)N)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C17H20N6/c18-11-15-12-20-17(21-16(15)19)23-8-4-7-22(9-10-23)13-14-5-2-1-3-6-14/h1-3,5-6,12H,4,7-10,13H2,(H2,19,20,21)