6-[(3S)-3-azanylpiperidin-1-yl]-5-(4-fluorophenyl)-3-methyl-4-oxidanylidene-pyrrolo[3,2-d]pyrimidine-7-carbonitrile

Systemtic Name: 6-[(3S)-3-azanylpiperidin-1-yl]-5-(4-fluorophenyl)-3-methyl-4-oxidanylidene-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Openeye Name: 6-[(3S)-3-amino-1-piperidyl]-5-(4-fluorophenyl)-3-methyl-4-oxo-pyrrolo[3,2-d]pyrimidine-7-carbonitrile CAS Name: 6-[(3S)-3-amino-1-piperidinyl]-5-(4-fluorophenyl)-3-methyl-4-oxo-7-pyrrolo[3,2-d]pyrimidinecarbonitrile IUPAC Name: 6-[(3S)-3-aminopiperidin-1-yl]-5-(4-fluorophenyl)-3-methyl-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile Traditional Name: 6-[(3S)-3-aminopiperidino]-5-(4-fluorophenyl)-4-keto-3-methyl-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Formula: C19H19FN6O MolecularWeight: 366.392163

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C(C1=O)N(C(=C2C#N)N3CCCC(C3)N)C4=CC=C(C=C4)F

Isomeric SMILES

CN1C=NC2=C(C1=O)N(C(=C2C#N)N3CCC[C@@H](C3)N)C4=CC=C(C=C4)F

InChI

InChI=1S/C19H19FN6O/c1-24-11-23-16-15(9-21)18(25-8-2-3-13(22)10-25)26(17(16)19(24)27)14-6-4-12(20)5-7-14/h4-7,11,13H,2-3,8,10,22H2,1H3/t13-/m0/s1