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

Systemtic Name: 7-methyl-2-[4-(phenylmethyl)piperazin-1-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one; naphthalene-2-sulfonic acid Openeye Name: 2-(4-benzylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one; naphthalene-2-sulfonic acid CAS Name: 7-methyl-2-[4-(phenylmethyl)-1-piperazinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one; 2-naphthalenesulfonic acid IUPAC Name: 2-(4-benzylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one; naphthalene-2-sulfonic acid Traditional Name: 2-(4-benzylpiperazino)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one; naphthalene-2-sulfonic acid Formula: C28H29N5O4S MolecularWeight: 531.62596

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CC2=CN=C(N=C21)N3CCN(CC3)CC4=CC=CC=C4.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O

Isomeric SMILES

CN1C(=O)CC2=CN=C(N=C21)N3CCN(CC3)CC4=CC=CC=C4.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O

InChI

InChI=1S/C18H21N5O.C10H8O3S/c1-21-16(24)11-15-12-19-18(20-17(15)21)23-9-7-22(8-10-23)13-14-5-3-2-4-6-14;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h2-6,12H,7-11,13H2,1H3;1-7H,(H,11,12,13)