7-azanyl-6-cyano-5-phenyl-5H-pyrano[2,3-d]pyrimidin-4-olate; piperidin-1-ium

Systemtic Name: 7-azanyl-6-cyano-5-phenyl-5H-pyrano[2,3-d]pyrimidin-4-olate; piperidin-1-ium Openeye Name: 7-amino-6-cyano-5-phenyl-5H-pyrano[2,3-d]pyrimidin-4-olate; piperidin-1-ium CAS Name: 7-amino-6-cyano-5-phenyl-5H-pyrano[2,3-d]pyrimidin-4-olate; piperidin-1-ium IUPAC Name: 7-amino-6-cyano-5-phenyl-5H-pyrano[2,3-d]pyrimidin-4-olate; piperidin-1-ium Traditional Name: 7-amino-6-cyano-5-phenyl-5H-pyrano[2,3-d]pyrimidin-4-olate; piperidin-1-ium Formula: C19H21N5O2 MolecularWeight: 351.40234

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH2+]CC1.C1=CC=C(C=C1)C2C(=C(OC3=NC=NC(=C23)[O-])N)C#N

Isomeric SMILES

C1CC[NH2+]CC1.C1=CC=C(C=C1)C2C(=C(OC3=NC=NC(=C23)[O-])N)C#N

InChI

InChI=1S/C14H10N4O2.C5H11N/c15-6-9-10(8-4-2-1-3-5-8)11-13(19)17-7-18-14(11)20-12(9)16;1-2-4-6-5-3-1/h1-5,7,10H,16H2,(H,17,18,19);6H,1-5H2