1-[4-[6-chloranyl-7-[(phenylmethyl)amino]-4-pyrrolidin-1-yl-pteridin-2-yl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[6-chloranyl-7-[(phenylmethyl)amino]-4-pyrrolidin-1-yl-pteridin-2-yl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[7-(benzylamino)-6-chloro-4-pyrrolidin-1-yl-pteridin-2-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-[6-chloro-7-[(phenylmethyl)amino]-4-(1-pyrrolidinyl)-2-pteridinyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[7-(benzylamino)-6-chloro-4-pyrrolidin-1-ylpteridin-2-yl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[7-(benzylamino)-6-chloro-4-pyrrolidino-pteridin-2-yl]piperazino]ethanone Formula: C23H27ClN8O MolecularWeight: 466.96648

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=NC3=C(C(=N2)N4CCCC4)N=C(C(=N3)NCC5=CC=CC=C5)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=NC3=C(C(=N2)N4CCCC4)N=C(C(=N3)NCC5=CC=CC=C5)Cl

InChI

InChI=1S/C23H27ClN8O/c1-16(33)30-11-13-32(14-12-30)23-28-20-18(22(29-23)31-9-5-6-10-31)26-19(24)21(27-20)25-15-17-7-3-2-4-8-17/h2-4,7-8H,5-6,9-15H2,1H3,(H,25,27,28,29)