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

Systemtic Name: naphthalene-2-sulfonic acid; 5,5,7-trimethyl-2-piperazin-1-yl-pyrrolo[2,3-d]pyrimidin-6-one Openeye Name: naphthalene-2-sulfonic acid; 5,5,7-trimethyl-2-piperazin-1-yl-pyrrolo[2,3-d]pyrimidin-6-one CAS Name: 2-naphthalenesulfonic acid; 5,5,7-trimethyl-2-(1-piperazinyl)-6-pyrrolo[2,3-d]pyrimidinone IUPAC Name: naphthalene-2-sulfonic acid; 5,5,7-trimethyl-2-piperazin-1-ylpyrrolo[2,3-d]pyrimidin-6-one Traditional Name: naphthalene-2-sulfonic acid; 5,5,7-trimethyl-2-piperazino-pyrrolo[2,3-d]pyrimidin-6-one Formula: C23H27N5O4S MolecularWeight: 469.55658

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CN=C(N=C2N(C1=O)C)N3CCNCC3)C.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O

Isomeric SMILES

CC1(C2=CN=C(N=C2N(C1=O)C)N3CCNCC3)C.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O

InChI

InChI=1S/C13H19N5O.C10H8O3S/c1-13(2)9-8-15-12(18-6-4-14-5-7-18)16-10(9)17(3)11(13)19;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h8,14H,4-7H2,1-3H3;1-7H,(H,11,12,13)