6-[(3R)-3-azanylpiperidin-1-yl]-5-but-2-ynyl-1-methyl-3-(quinazolin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-dione

Systemtic Name: 6-[(3R)-3-azanylpiperidin-1-yl]-5-but-2-ynyl-1-methyl-3-(quinazolin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-dione Openeye Name: 6-[(3R)-3-amino-1-piperidyl]-5-but-2-ynyl-1-methyl-3-(quinazolin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-dione CAS Name: 6-[(3R)-3-amino-1-piperidinyl]-5-but-2-ynyl-1-methyl-3-(2-quinazolinylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-dione IUPAC Name: 6-[(3R)-3-aminopiperidin-1-yl]-5-but-2-ynyl-1-methyl-3-(quinazolin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-dione Traditional Name: 6-[(3R)-3-aminopiperidino]-5-but-2-ynyl-1-methyl-3-(quinazolin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-quinone Formula: C25H27N7O2 MolecularWeight: 457.52758

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C(=CC2=C1C(=O)N(C(=O)N2C)CC3=NC4=CC=CC=C4C=N3)N5CCCC(C5)N

Isomeric SMILES

CC#CCN1C(=CC2=C1C(=O)N(C(=O)N2C)CC3=NC4=CC=CC=C4C=N3)N5CCC[C@H](C5)N

InChI

InChI=1S/C25H27N7O2/c1-3-4-12-31-22(30-11-7-9-18(26)15-30)13-20-23(31)24(33)32(25(34)29(20)2)16-21-27-14-17-8-5-6-10-19(17)28-21/h5-6,8,10,13-14,18H,7,9,11-12,15-16,26H2,1-2H3/t18-/m1/s1