4-[2-[2-[(4-azanyl-5-cyano-pyrimidin-2-yl)amino]ethylamino]pyrimidin-4-yl]benzamide

Systemtic Name: 4-[2-[2-[(4-azanyl-5-cyano-pyrimidin-2-yl)amino]ethylamino]pyrimidin-4-yl]benzamide Openeye Name: 4-[2-[2-[(4-amino-5-cyano-pyrimidin-2-yl)amino]ethylamino]pyrimidin-4-yl]benzamide CAS Name: 4-[2-[2-[(4-amino-5-cyano-2-pyrimidinyl)amino]ethylamino]-4-pyrimidinyl]benzamide IUPAC Name: 4-[2-[2-[(4-amino-5-cyanopyrimidin-2-yl)amino]ethylamino]pyrimidin-4-yl]benzamide Traditional Name: 4-[2-[2-[(4-amino-5-cyano-pyrimidin-2-yl)amino]ethylamino]pyrimidin-4-yl]benzamide Formula: C18H17N9O MolecularWeight: 375.38728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=NC=C2)NCCNC3=NC=C(C(=N3)N)C#N)C(=O)N

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=NC=C2)NCCNC3=NC=C(C(=N3)N)C#N)C(=O)N

InChI

InChI=1S/C18H17N9O/c19-9-13-10-25-18(27-15(13)20)24-8-7-23-17-22-6-5-14(26-17)11-1-3-12(4-2-11)16(21)28/h1-6,10H,7-8H2,(H2,21,28)(H,22,23,26)(H3,20,24,25,27)