3-[[6-(cyclopropylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]benzenecarbonitrile

Systemtic Name: 3-[[6-(cyclopropylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]benzenecarbonitrile Openeye Name: 3-[[6-(cyclopropylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]benzonitrile CAS Name: 3-[[6-(cyclopropylamino)-4-pyrimido[5,4-d]pyrimidinyl]amino]benzonitrile IUPAC Name: 3-[[6-(cyclopropylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]benzonitrile Traditional Name: 3-[[6-(cyclopropylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]benzonitrile Formula: C16H13N7 MolecularWeight: 303.32132

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CC1NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C16H13N7/c17-7-10-2-1-3-12(6-10)21-15-14-13(19-9-20-15)8-18-16(23-14)22-11-4-5-11/h1-3,6,8-9,11H,4-5H2,(H,18,22,23)(H,19,20,21)