6-ethanoyl-2-piperazin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one; naphthalene-2-sulfonic acid

Systemtic Name: 6-ethanoyl-2-piperazin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one; naphthalene-2-sulfonic acid Openeye Name: 6-acetyl-2-piperazin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one; naphthalene-2-sulfonic acid CAS Name: 6-acetyl-2-(1-piperazinyl)-7H-pyrrolo[3,4-d]pyrimidin-5-one; 2-naphthalenesulfonic acid IUPAC Name: 6-acetyl-2-piperazin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one; naphthalene-2-sulfonic acid Traditional Name: 6-acetyl-2-piperazino-7H-pyrrolo[3,4-d]pyrimidin-5-one; naphthalene-2-sulfonic acid Formula: C22H23N5O5S MolecularWeight: 469.51352

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC2=NC(=NC=C2C1=O)N3CCNCC3.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O

Isomeric SMILES

CC(=O)N1CC2=NC(=NC=C2C1=O)N3CCNCC3.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O

InChI

InChI=1S/C12H15N5O2.C10H8O3S/c1-8(18)17-7-10-9(11(17)19)6-14-12(15-10)16-4-2-13-3-5-16;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h6,13H,2-5,7H2,1H3;1-7H,(H,11,12,13)