6-[(3R)-3-azanylpiperidin-1-yl]-5-but-2-ynyl-3-(isoquinolin-1-ylmethyl)-4-oxidanylidene-pyrrolo[3,2-d]pyrimidine-7-carbonitrile

Systemtic Name: 6-[(3R)-3-azanylpiperidin-1-yl]-5-but-2-ynyl-3-(isoquinolin-1-ylmethyl)-4-oxidanylidene-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Openeye Name: 6-[(3R)-3-amino-1-piperidyl]-5-but-2-ynyl-3-(1-isoquinolylmethyl)-4-oxo-pyrrolo[3,2-d]pyrimidine-7-carbonitrile CAS Name: 6-[(3R)-3-amino-1-piperidinyl]-5-but-2-ynyl-3-(1-isoquinolinylmethyl)-4-oxo-7-pyrrolo[3,2-d]pyrimidinecarbonitrile IUPAC Name: 6-[(3R)-3-aminopiperidin-1-yl]-5-but-2-ynyl-3-(isoquinolin-1-ylmethyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile Traditional Name: 6-[(3R)-3-aminopiperidino]-5-but-2-ynyl-3-(1-isoquinolylmethyl)-4-keto-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Formula: C26H25N7O MolecularWeight: 451.523

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C(=C1N3CCCC(C3)N)C#N)N=CN(C2=O)CC4=NC=CC5=CC=CC=C54

Isomeric SMILES

CC#CCN1C2=C(C(=C1N3CCC[C@H](C3)N)C#N)N=CN(C2=O)CC4=NC=CC5=CC=CC=C54

InChI

InChI=1S/C26H25N7O/c1-2-3-13-33-24-23(21(14-27)25(33)31-12-6-8-19(28)15-31)30-17-32(26(24)34)16-22-20-9-5-4-7-18(20)10-11-29-22/h4-5,7,9-11,17,19H,6,8,12-13,15-16,28H2,1H3/t19-/m1/s1