6-[(3S)-3-azanylpiperidin-1-yl]-5-buta-2,3-dienyl-3-(2-isoquinolin-1-yl-2-oxidanylidene-ethyl)-4-oxidanylidene-pyrrolo[3,2-d]pyrimidine-7-carbonitrile

Systemtic Name: 6-[(3S)-3-azanylpiperidin-1-yl]-5-buta-2,3-dienyl-3-(2-isoquinolin-1-yl-2-oxidanylidene-ethyl)-4-oxidanylidene-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Openeye Name: 6-[(3S)-3-amino-1-piperidyl]-5-buta-2,3-dienyl-3-[2-(1-isoquinolyl)-2-oxo-ethyl]-4-oxo-pyrrolo[3,2-d]pyrimidine-7-carbonitrile CAS Name: 6-[(3S)-3-amino-1-piperidinyl]-5-buta-2,3-dienyl-3-[2-(1-isoquinolinyl)-2-oxoethyl]-4-oxo-7-pyrrolo[3,2-d]pyrimidinecarbonitrile IUPAC Name: 6-[(3S)-3-aminopiperidin-1-yl]-5-buta-2,3-dienyl-3-(2-isoquinolin-1-yl-2-oxoethyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile Traditional Name: 6-[(3S)-3-aminopiperidino]-5-buta-2,3-dienyl-3-[2-(1-isoquinolyl)-2-keto-ethyl]-4-keto-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Formula: C27H25N7O2 MolecularWeight: 479.5331

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Descriptors Computed from Structure

Canonical SMILES:

C=C=CCN1C2=C(C(=C1N3CCCC(C3)N)C#N)N=CN(C2=O)CC(=O)C4=NC=CC5=CC=CC=C54

Isomeric SMILES

C=C=CCN1C2=C(C(=C1N3CCC[C@@H](C3)N)C#N)N=CN(C2=O)CC(=O)C4=NC=CC5=CC=CC=C54

InChI

InChI=1S/C27H25N7O2/c1-2-3-13-34-25-24(21(14-28)26(34)32-12-6-8-19(29)15-32)31-17-33(27(25)36)16-22(35)23-20-9-5-4-7-18(20)10-11-30-23/h3-5,7,9-11,17,19H,1,6,8,12-13,15-16,29H2/t19-/m0/s1